Compound Detail
CHEMBL4570444
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Basic Information
| ChEMBL ID | CHEMBL4570444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBHPMBQELUEIIV-QMMMGPOBSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
3.21
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stimulator of interferon genes protein CHEMBL4523377 | EC50 | 5.56 | 5.51 | 2735.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stimulator of interferon genes protein | EC50 | = | 2735.0 | nM | 5.56 | Displacement of [3H]-cGAMP from full length STING HAQ mutant in human THP1 cells... | 31820978 |
| Stimulator of interferon genes protein | EC50 | = | 2735.0 | nM | 5.56 | STING Biochemical [3H]cGAMP Competition Assay: The individual compounds describe... | - |
| Stimulator of interferon genes protein | EC50 | = | 3873.0 | nM | 5.41 | STING Biochemical [3H]cGAMP Competition Assay: The individual compounds describe... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31820978 | 10.1021/acs.jmedchem.9b01039 | Stimulator of interferon genes protein | 2 |
Data from ChEMBL 36 via Core Engine